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Tb8Zn4In

Alexandria ALEX

Alex-ID: agm097324931 · Space group: Pm (#6)

Basic Information

Formula
Tb8Zn4In
Alex-ID
agm097324931
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
347.45
ų
Cell a
3.7310
Å
Cell b
10.9129
Å
Cell c
10.2645
Å
α angle
56.24
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Zn4In
Tb
8.00 · 61.5%
Zn
4.00 · 30.8%
In
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1193
eV/atom
Formation energy
-0.1676
eV/atom
Corrected total energy
-47.1195
eV
Raw total energy
-47.1195
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.3445
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1607_spg8

Decomposition

Tb2Zn Tb3ZnIn TbZn

Computed at

2025-06-19 22:22:41

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097324931).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm097324931
data_agm097324931
_cell_length_a     3.73100
_cell_length_b     10.91292
_cell_length_c     10.26446
_cell_angle_alpha  56.23781
_cell_angle_beta   89.99603
_cell_angle_gamma  89.99892
_cell_volume       347.44561
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Tb1 Tb 0.65388 0.30648 0.00381 1.00000
  Tb2 Tb 0.15399 0.69072 0.25802 1.00000
  Tb3 Tb 0.15394 0.64490 0.69440 1.00000
  Tb4 Tb 0.65366 0.99790 0.61944 1.00000
  Tb5 Tb 0.65388 0.90664 0.35504 1.00000
  Tb6 Tb 0.65395 0.36230 0.36937 1.00000
  Tb7 Tb 0.15393 0.26142 0.71343 1.00000
  Tb8 Tb 0.65405 0.67449 0.96499 1.00000
  Zn1 Zn 0.15385 0.06496 0.08276 1.00000
  Zn2 Zn 0.15387 0.44076 0.10955 1.00000
  Zn3 Zn 0.65354 0.53322 0.54125 1.00000
  Zn4 Zn 0.15348 0.15030 0.32524 1.00000
  In1 In 0.65399 0.96592 0.96269 1.00000
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